Geometry & MOs

Info

ID:

439944

PubChem CID:

135229800

Reduced:

NOH45C70 (1)

Stoich.:

ABC45D70 (1)

Weight, g/mol:

913.334465

ΔHf, kcal/mol:

265.16

Dipole, Da:

1.85

IP(EA), eV:

 -8.02(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5(C6=C(C7=CC=CC=C7C=C6)OC8=C5C=CC9=CC=CC=C98)C1=CC=CC=C14)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations